2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetic acid CAS Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetic acid IUPAC Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetic acid Traditional Name: 2-(4-bromo-N-mesyl-3-methyl-anilino)acetic acid Formula: C10H12BrNO4S MolecularWeight: 322.17558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)O)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)O)S(=O)(=O)C)Br

InChI

InChI=1S/C10H12BrNO4S/c1-7-5-8(3-4-9(7)11)12(6-10(13)14)17(2,15)16/h3-5H,6H2,1-2H3,(H,13,14)